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Molecule
Iron(Iii) Pyrophosphate
CAS: 10058-44-3 · H4FeO7P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10058-44-3
- Molecular Formula
- H4FeO7P2
- Molecular Mass
- 233.82 g/mol
Identifiers
CAS Registry Number
10058-44-3
SMILES
O=P(O)(O)OP(=O)(O)O.[Fe]
InChI Key
ZDVDTRZOPBKZNG-UHFFFAOYSA-N
InChI
InChI=1S/Fe.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)
Names and Synonyms
- Iron(Iii) Pyrophosphate Common Name
- Diphosphoric acid, iron(3+) salt (3:4) Synonym
- Pyrophosphoric acid, iron(3+) salt (3:4) Synonym
- Iron pyrophosphate (Fe4(P2O7)3) Synonym
- Ferric pyrophosphate Synonym
- Iron phosphate (Fe4(P2O7)3) Synonym
- Iron diphosphate (Fe4(P2O7)3) Synonym
- Sunactive Fe Synonym
- Sunactive Fe 80 Synonym
- Sunactive Fe 12 Synonym
- Tetrairon tris(pyrophosphate) Synonym
- Sunactive FeM Synonym
- SunActive F-P 80 Synonym
- Arion Synonym
- Feramol Synonym
- Ferric diphosphate Synonym
- Ferrsorb Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 233.82 g/mol | CAS Common Chemistry |
| 233.878163228 g/mol | RDKit | |
| 233.818 g/mol | RDKit | |
| 235.834 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Iron(III)_pyrophosphate | CAS Common Chemistry |
| Canonical SMILES | [Fe].O=P(O)(O)OP(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Fe.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=ZDVDTRZOPBKZNG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ferric pyrophosphate | CAS Common Chemistry |
| Iron(III) pyrophosphate | CAS Common Chemistry | |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 124.29000000000002 Ų | RDKit |
| 124.29 Ų | RDKit | |
| LogP | -0.8141 | RDKit |
| Molar Refractivity | 25.17319999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 233.818 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 233.82 g/mol. Edit any field — others recompute live.
